@MOLECULE 109374180 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 5.1993 -4.7064 0.1696 O.2 1 noname -0.3066 2 C1 1.6827 -1.3947 -0.0702 C.3 1 noname -0.0526 3 C2 1.4584 0.1123 0.0692 C.3 1 noname -0.0498 4 C3 3.1615 -1.7136 0.1588 C.3 1 noname -0.0466 5 C4 -0.0204 0.4312 -0.1598 C.3 1 noname -0.0350 6 C5 3.3857 -3.2206 0.0194 C.3 1 noname 0.0030 7 C6 -0.2300 1.8397 -0.0295 C.2 1 noname -0.0885 8 C7 -2.5491 1.4865 -0.4906 C.3 1 noname -0.0353 9 C8 -1.4486 2.3483 -0.1889 C.2 1 noname -0.0885 10 C9 -3.6047 1.6027 0.6108 C.3 1 noname -0.0527 11 C10 4.7968 -3.5249 0.2380 C.2 1 noname 0.1230 12 C11 -4.7823 0.6807 0.2880 C.3 1 noname -0.0651 13 H1 1.0787 -1.9218 0.6684 H 1 noname 0.0267 14 H2 1.3929 -1.7141 -1.0713 H 1 noname 0.0267 15 H3 1.7481 0.4317 1.0703 H 1 noname 0.0270 16 H4 2.0624 0.6394 -0.6694 H 1 noname 0.0270 17 H5 3.4512 -1.3942 1.1599 H 1 noname 0.0271 18 H6 3.7654 -1.1865 -0.5797 H 1 noname 0.0271 19 H7 -0.6243 -0.0959 0.5788 H 1 noname 0.0309 20 H8 -0.3101 0.1118 -1.1609 H 1 noname 0.0309 21 H9 2.7818 -3.7477 0.7580 H 1 noname 0.0343 22 H10 3.0960 -3.5400 -0.9817 H 1 noname 0.0343 23 H11 0.5319 2.4363 0.1794 H 1 noname 0.0572 24 H12 -2.9869 1.7770 -1.4456 H 1 noname 0.0309 25 H13 -2.1982 0.4562 -0.5502 H 1 noname 0.0309 26 H14 -1.5937 3.3234 -0.0987 H 1 noname 0.0572 27 H15 -3.9557 2.6330 0.6704 H 1 noname 0.0267 28 H16 -3.1669 1.3122 1.5658 H 1 noname 0.0267 29 H17 5.4543 -2.7735 0.4464 H 1 noname 0.1041 30 H18 -5.5343 0.7635 1.0727 H 1 noname 0.0230 31 H19 -5.2201 0.9712 -0.6670 H 1 noname 0.0230 32 H20 -4.4313 -0.3495 0.2284 H 1 noname 0.0230 @BOND 1 1 11 2 2 2 3 1 3 2 4 1 4 2 13 1 5 2 14 1 6 3 5 1 7 3 15 1 8 3 16 1 9 4 6 1 10 4 17 1 11 4 18 1 12 5 7 1 13 5 19 1 14 5 20 1 15 6 11 1 16 6 21 1 17 6 22 1 18 7 9 2 19 7 23 1 20 8 9 1 21 8 10 1 22 8 24 1 23 8 25 1 24 9 26 1 25 10 12 1 26 10 27 1 27 10 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1